5-fluoro-3-(3-fluoro-4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one

C19H17F2NO3 — CID 66917298

IUPAC5-fluoro-3-(3-fluoro-4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one
SMILESCCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)c(F)c3)c[nH]c12
InChIInChI=1S/C19H17F2NO3/c1-3-8-25-16-7-5-13(20)17-18(16)22-10-12(19(17)23)11-4-6-15(24-2)14(21)9-11/h4-7,9-10H,3,8H2,1-2H3,(H,22,23)
InChIKeyVEMFLSJLGAZTFG-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.27
Rot. Bonds5

About 5-fluoro-3-(3-fluoro-4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one

5-fluoro-3-(3-fluoro-4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one (PubChem CID 66917298) has the molecular formula C19H17F2NO3 and a molecular weight of 345.35 g/mol. Its IUPAC name is 5-fluoro-3-(3-fluoro-4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name5-fluoro-3-(3-fluoro-4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one
PubChem CID66917298
Molecular FormulaC19H17F2NO3
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name5-fluoro-3-(3-fluoro-4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one
SMILESCCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)c(F)c3)c[nH]c12
InChIInChI=1S/C19H17F2NO3/c1-3-8-25-16-7-5-13(20)17-18(16)22-10-12(19(17)23)11-4-6-15(24-2)14(21)9-11/h4-7,9-10H,3,8H2,1-2H3,(H,22,23)
InChIKeyVEMFLSJLGAZTFG-UHFFFAOYSA-N
XLogP4.27
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(3-fluoro-4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one?
The IUPAC name of 5-fluoro-3-(3-fluoro-4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one (CID 66917298) is 5-fluoro-3-(3-fluoro-4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one.
What is the SMILES notation for 5-fluoro-3-(3-fluoro-4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one?
The canonical SMILES for 5-fluoro-3-(3-fluoro-4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one is CCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)c(F)c3)c[nH]c12.
What is the InChIKey of 5-fluoro-3-(3-fluoro-4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one?
The InChIKey is VEMFLSJLGAZTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO3/c1-3-8-25-16-7-5-13(20)17-18(16)22-10-12(19(17)23)11-4-6-15(24-2)14(21)9-11/h4-7,9-10H,3,8H2,1-2H3,(H,22,23).
What are the key properties of 5-fluoro-3-(3-fluoro-4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one?
5-fluoro-3-(3-fluoro-4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one has a molecular weight of 345.35 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(3-fluoro-4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one is sourced from PubChem (CID 66917298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).